SCHEMBL7573777

SCHEMBL7573777

CC(C)CN(CC(OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.68
ACE P12821 13/20 0.68
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CPA1 P15085 2/20 0.47
ACE2 Q9BYF1 2/20 0.47
TACR1 P25103 1/20 0.46
PTPN1 P18031 1/20 0.44
F2 P00734 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7573782 1.00 MME (0.68) MMEACECTSLCTSBCTSS
SCHEMBL8450834 0.95 MME (0.61) MMEACECTSLCTSBCTSS
SCHEMBL8027177 0.90 MME (0.81) MMEACECTSLCTSBCTSS
SCHEMBL8029487 0.90 MME (0.81) MMEACECTSLCTSBCTSS
SCHEMBL27445684 0.90 MME (0.81) MMEACECTSLCTSBCTSS
SCHEMBL8026927 0.90 MME (0.81) MMEACECTSLCTSBCTSS
SCHEMBL8016985 0.90 MME (0.81) MMEACECTSLCTSBCTSS
SCHEMBL8032641 0.90 MME (0.81) MMEACECTSLCTSBCTSS
SCHEMBL7572261 0.89 MME (0.66) MMEACECTSBCPA1ACE2
SCHEMBL7572256 0.89 MME (0.66) MMEACECTSBCPA1ACE2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798291-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2002-09-11 EP disclosed
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed